5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-[5-(3-nitrophenyl)furan-2-yl]methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-[5-(3-nitrophenyl)furan-2-yl]methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[5-(3-nitrophenyl)-2-furyl]methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[5-(3-nitrophenyl)-2-furanyl]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[5-(3-nitrophenyl)furan-2-yl]methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[5-(3-nitrophenyl)-2-furyl]methyl]-5-methyl-3-pyrazolin-3-one Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=C(NNC4=O)C

InChI

InChI=1S/C19H17N5O5/c1-9-15(18(25)22-20-9)17(16-10(2)21-23-19(16)26)14-7-6-13(29-14)11-4-3-5-12(8-11)24(27)28/h3-8,17H,1-2H3,(H2,20,22,25)(H2,21,23,26)